SCHEMBL6909452

SCHEMBL6909452

CCCCOC(=O)c1cc(C)c(Cl)cc1C(=O)OCC(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.48
TSHR P16473 5/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NPC1 O15118 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 4/20 0.44
CYP3A4 P08684 2/20 0.42
MAPK1 P28482 2/20 0.42
TP53 P04637 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 1/20 0.41
GPR35 Q9HC97 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4628676 1.00 ESR1 (0.48) ESR1TSHRTDP1L3MBTL1NPC1
SCHEMBL4628270 0.92 ESR1 (0.52) ESR1TSHRTDP1L3MBTL1ALDH1A1
SCHEMBL4627957 0.90 TSHR (0.53) ESR1TSHRTDP1L3MBTL1ALDH1A1
SCHEMBL4625804 0.90 ESR1 (0.56) ESR1TSHRTDP1L3MBTL1NPC1
SCHEMBL4628613 0.90 ESR1 (0.48) ESR1TSHRTDP1L3MBTL1NPC1
SCHEMBL4628085 0.90 ESR1 (0.48) ESR1TSHRTDP1L3MBTL1NPC1
SCHEMBL4625679 0.89 ALDH1A1 (0.54) TSHRTDP1L3MBTL1NPC1HPGD
SCHEMBL4625661 0.88 ALDH1A1 (0.50) TSHRTDP1L3MBTL1RAB9AALDH1A1
SCHEMBL4627319 0.88 ALDH1A1 (0.50) TSHRTDP1L3MBTL1RAB9AALDH1A1
SCHEMBL4627374 0.87 ESR1 (0.48) ESR1TSHRTDP1L3MBTL1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6770586-B2 Solid catalyst component and catalyst for olefins polymerization TOHO TITANIUM CO., LTD. (JP) 2004-08-03 US disclosed